1GAX
CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS VALYL-TRNA SYNTHETASE COMPLEXED WITH TRNA(VAL) AND VALYL-ADENYLATE ANALOGUE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-24 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 411.810, 411.810, 81.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| Rwork | 0.245 |
| R-free | 0.27200 * |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.120 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.940 |
| High resolution limit [Å] | 2.900 | 2.890 |
| Rmerge | 0.100 | 0.328 |
| Total number of observations | 551728 * | |
| Number of reflections | 151446 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 96.4 | 85.6 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | ammonium sulfate, sodium cacodylate, magnesium sulfate, 1,8-diaminooctane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | 1,8-diaminooctane | ||
| 3 | 1 | 1 | MgSO4 | ||
| 4 | 1 | 1 | (NH4)2SO4 | ||
| 5 | 1 | 2 | MgSO4 | ||
| 6 | 1 | 2 | (NH4)2SO4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-10 (mg/ml) | |
| 2 | 1 | drop | sodium cacodylate | 50 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 1.0 (M) | |
| 4 | 1 | drop | magnesium sulfate | 10 (mM) | |
| 5 | 1 | drop | 1,8-diaminooctane | 6 (%) | |
| 6 | 1 | reservoir | sodium cacodylate | 50 (mM) | |
| 7 | 1 | reservoir | ammonium sulfate | 2.8 (M) | |
| 8 | 1 | reservoir | magnesium sulfate | 10 (mM) |
